E019-1135 Screening compound: N~1~-(3,4-dimethoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

E019-1135 Screening compound: N~1~-(3,4-dimethoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide
E019-1135 Screening compound: N~1~-(3,4-dimethoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-1135
N~1~-(3,4-dimethoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E019-1135

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

N~1~-(3,4-dimethoxybenzyl)-4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-4-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}butanamide

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(NCc(cc1)cc(OC)c1OC)=O)C2=O

InChI

InChI=1S/C24H25N3O4S/c1-15-23-22(17-7-4-5-8-20(17)32-23)24(29)27(26-15)12-6-9-21(28)25-14-16-10-11-18(30-2)19(13-16)31-3/h4-5,7-8,10-11,13H,6,9,12,14H2,1-3H3,(H,25,28)

InChI Key

SLUWQUQPWOLKPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-3.32

Polar Surface Area

67.097

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E019-1135 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E019-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-1135?
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What is the minimum amount of E019-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-1135
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E019-1135 available by request